SCHEMBL333947

SCHEMBL333947

O=C(O)c1cccc(F)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
ALB P02768 1/20 0.61
ALDH1A1 P00352 4/20 0.50
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
ALOX15 P16050 2/20 0.48
BCHE P06276 1/20 0.48
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NAPRT Q6XQN6 2/20 0.44
LMNA P02545 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TTR P02766 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NR4A1 P22736 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL785156 0.98 TSHR (0.61) TSHRALBALDH1A1CES2CES1
SCHEMBL7080990 0.84 CES2 (0.61) TSHRALBALDH1A1CES2CES1
SCHEMBL1614730 0.84 TSHR (0.77) TSHRALBALDH1A1ALOX15PDK1
SCHEMBL25216818 0.83 TSHR (0.46) TSHRALBALDH1A1CES2CES1
SCHEMBL4442608 0.83 CES2 (0.48) TSHRALBALDH1A1CES2CES1
SCHEMBL23079123 0.83 CES2 (0.48) TSHRALBALDH1A1CES2CES1
SCHEMBL785155 0.83 ALDH1A1 (0.65) TSHRALBALDH1A1CES2CES1
Hydrochloric Acid SCHEMBL11483376 0.81 TSHR (0.74) TSHRALBALDH1A1ALOX15PDK1
Hydrochloric Acid SCHEMBL21808814 0.81 TSHR (0.74) TSHRALBALDH1A1ALOX15PDK1
SCHEMBL8829671 0.81 TSHR (0.61) TSHRALBALDH1A1SMN1; SMN2GRIK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
WO-2018057219-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC (US) 2018-03-29 WO claimed
US-20180080314-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC 2018-03-22 US claimed
EP-4746972-A1 DEUTERATED PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2026-05-27 EP disclosed
US-12501829-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device, and display device SAMSUNG SDI CO., LTD. (KR) 2025-12-16 US disclosed
US-20250282791-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2025-09-11 US disclosed
US-20250241915-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS PFIZER INC. (US) 2025-07-31 US disclosed
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-07-17 US disclosed
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
US-12338246-B2 Pyrazine derivative and application thereof in inhibiting SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD. (CN) 2025-06-24 US disclosed
US-6258838-B1 Compounds ASTRAZENECA AB (SE) 2001-07-10 US disclosed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US disclosed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
CN-1284057-A Adamantane derivatives ASTRA ZENECA BRITISH LTD (GB) 2001-02-14 CN disclosed
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
JP-2000247980-A PRODUCTION OF (-)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE SAMSUNG ELECTRONICS CO LTD 2000-09-12 JP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed
US-5334753-A Lithiating halobenzoic acid, then reacting with electrophilic reagent RHONE-POULENC AGRICULTURE LTD (GB) 1994-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250241915-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 TSHR 218/4885ALB 4179/4885ALDH1A1 1187/4885
US-12338246-B2 Pyrazine derivative and application thereof in inhibiting SHP2 PTPN5, PTPN1, PTPN7 TSHR 494/4885ALB 3128/4885ALDH1A1 2569/4885
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A TSHR 2564/4885ALB 4106/4885ALDH1A1 1912/4885
US-20250282791-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN3, PTPN5, PTPN13 TSHR 570/4885ALB 2672/4885ALDH1A1 3079/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 TSHR 976/4885ALB 2491/4885ALDH1A1 2147/4885
US-12501829-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device, and display device OCIAD2, OCIAD1, OXER1 TSHR 4049/4885ALB 2134/4885ALDH1A1 116/4885
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD TSHR 3383/4885ALB 4212/4885ALDH1A1 443/4885
US-20010003121-A1 Novel compounds APP, BACE1, CHRNA5 TSHR 3980/4885ALB 2411/4885ALDH1A1 1215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.